COMPND    HMDB0030722
HETATM    1  C1  UNL     1      -4.575   2.726  -0.351  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.370   2.618  -1.062  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.428   1.624  -0.814  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.256   1.534  -1.519  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.288   0.544  -1.292  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.793   0.512  -2.200  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.960   0.103  -1.866  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.486  -0.352  -0.663  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.550  -1.296  -0.737  1.00  0.00           C  
HETATM   10  C9  UNL     1       4.231  -1.726   0.374  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.914  -1.259   1.626  1.00  0.00           C  
HETATM   12  C11 UNL     1       2.896  -0.347   1.738  1.00  0.00           C  
HETATM   13  C12 UNL     1       2.230   0.068   0.612  1.00  0.00           C  
HETATM   14  C13 UNL     1      -0.627  -0.334  -0.291  1.00  0.00           C  
HETATM   15  C14 UNL     1      -1.797  -0.282   0.448  1.00  0.00           C  
HETATM   16  O2  UNL     1      -2.071  -1.202   1.445  1.00  0.00           O  
HETATM   17  C15 UNL     1      -1.232  -2.256   1.814  1.00  0.00           C  
HETATM   18  C16 UNL     1      -2.701   0.708   0.179  1.00  0.00           C  
HETATM   19  H1  UNL     1      -5.028   3.725  -0.513  1.00  0.00           H  
HETATM   20  H2  UNL     1      -5.293   1.907  -0.598  1.00  0.00           H  
HETATM   21  H3  UNL     1      -4.304   2.653   0.739  1.00  0.00           H  
HETATM   22  H4  UNL     1      -1.078   2.282  -2.301  1.00  0.00           H  
HETATM   23  H5  UNL     1       0.598   0.857  -3.251  1.00  0.00           H  
HETATM   24  H6  UNL     1       2.682   0.139  -2.754  1.00  0.00           H  
HETATM   25  H7  UNL     1       3.847  -1.700  -1.694  1.00  0.00           H  
HETATM   26  H8  UNL     1       5.036  -2.443   0.314  1.00  0.00           H  
HETATM   27  H9  UNL     1       4.441  -1.592   2.492  1.00  0.00           H  
HETATM   28  H10 UNL     1       2.612   0.050   2.726  1.00  0.00           H  
HETATM   29  H11 UNL     1       1.484   0.812   0.739  1.00  0.00           H  
HETATM   30  H12 UNL     1       0.020  -1.162  -0.073  1.00  0.00           H  
HETATM   31  H13 UNL     1      -1.878  -3.014   2.338  1.00  0.00           H  
HETATM   32  H14 UNL     1      -0.773  -2.751   0.931  1.00  0.00           H  
HETATM   33  H15 UNL     1      -0.469  -1.882   2.534  1.00  0.00           H  
HETATM   34  H16 UNL     1      -3.610   0.736   0.764  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3
CONECT    3    4    4   18
CONECT    4    5   22
CONECT    5    6   14   14
CONECT    6    7    7   23
CONECT    7    8   24
CONECT    8    9    9   13
CONECT    9   10   25
CONECT   10   11   11   26
CONECT   11   12   27
CONECT   12   13   13   28
CONECT   13   29
CONECT   14   15   30
CONECT   15   16   18   18
CONECT   16   17
CONECT   17   31   32   33
CONECT   18   34
END